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A novel three-dimensional (3D) CdII coordination polymer, namely, poly[[μ2-4,4′-bis­(2-methyl­imidazol-1-yl)-[1,1′-biphen­yl]](μ2-5-methyl­isophthalato)cadmium(II)], [Cd(C9H6O4)(C20H18N4)]n or [Cd(MIP)(4,4′-BMIBP)]n, (I), was synthesized by the hydro­thermal method using 5-methyl­isophthalic acid (H2MIP), 4,4′-bis­(2-methyl­imidazol-1-yl)-[1,1′-biphen­yl] (4,4′-BMIBP) and Cd(NO3)2·6H2O, and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and thermogravimetric analysis. Compound (I) exhibits a novel fivefold inter­penetrating 3D diamondoid framework. Additionally, it shows fluorescence emission in the solid state and promising photo­catalytic activities for the degradation of methyl­ene blue (MB) in water at room tem­per­ature.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229621010639/qf3049sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229621010639/qf3049Isup2.hkl
Contains datablock I

CCDC reference: 2115562

Computing details top

Data collection: APEX3 (Bruker, 2016); cell refinement: SAINT (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: SHELXL2018 (Sheldrick, 2015b).

Poly[[µ2-4,4'-bis(2-methylimidazol-1-yl)-[1,1'-biphenyl]](µ2-5-methylisophthalato)cadmium(II)] top
Crystal data top
[Cd(C9H6O4)(C20H18N4)]Dx = 1.526 Mg m3
Mr = 604.93Mo Kα radiation, λ = 0.71075 Å
Orthorhombic, P212121Cell parameters from 9858 reflections
a = 14.438 (3) Åθ = 2.8–26.1°
b = 8.555 (2) ŵ = 0.87 mm1
c = 21.315 (4) ÅT = 293 K
V = 2632.8 (10) Å3Block, colorless
Z = 40.21 × 0.18 × 0.17 mm
F(000) = 1224
Data collection top
Bruker APEXII CCD
diffractometer
4412 reflections with I > 2σ(I)
φ and ω scansRint = 0.036
Absorption correction: multi-scan
(SADABS; Bruker, 2016)
θmax = 26.0°, θmin = 2.8°
Tmin = 0.664, Tmax = 0.746h = 1716
36701 measured reflectionsk = 1010
4952 independent reflectionsl = 2626
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.029 w = 1/[σ2(Fo2) + (0.028P)2 + 0.9061P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.060(Δ/σ)max < 0.001
S = 1.05Δρmax = 0.39 e Å3
4952 reflectionsΔρmin = 0.39 e Å3
346 parametersAbsolute structure: Flack x determined using 1752 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
0 restraintsAbsolute structure parameter: 0.012 (8)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.76997 (2)0.85622 (3)0.49328 (2)0.04221 (10)
O30.3839 (2)1.4463 (4)0.50432 (16)0.0609 (8)
O20.6831 (2)0.9491 (4)0.41304 (15)0.0618 (9)
O40.3698 (2)1.5905 (3)0.42217 (14)0.0590 (9)
N20.6548 (2)0.4622 (4)0.60115 (18)0.0485 (9)
N30.6398 (3)0.4639 (4)0.87442 (18)0.0506 (9)
O10.6420 (2)1.0429 (4)0.50271 (17)0.0669 (9)
C110.7264 (3)0.5540 (5)0.58515 (19)0.0463 (10)
N10.6984 (3)0.6654 (4)0.54809 (19)0.0587 (10)
C30.5196 (3)1.2578 (4)0.4450 (2)0.0401 (9)
H30.51581.24900.48840.048*
C40.4676 (3)1.3693 (5)0.41426 (17)0.0382 (9)
C80.4040 (3)1.4760 (5)0.4493 (2)0.0405 (10)
N40.6642 (3)0.6708 (4)0.93137 (19)0.0581 (10)
C10.6373 (3)1.0435 (5)0.4452 (2)0.0451 (10)
C20.5769 (3)1.1596 (5)0.41186 (18)0.0404 (9)
C160.5983 (3)0.1887 (5)0.7286 (2)0.0504 (11)
H160.55850.18330.76280.060*
C230.6525 (3)0.3319 (5)0.83427 (18)0.0439 (10)
C50.4729 (3)1.3790 (5)0.35004 (19)0.0473 (10)
H50.43781.45390.32920.057*
C240.6471 (3)0.1867 (5)0.8600 (2)0.0462 (11)
H240.64140.17450.90320.055*
C140.6557 (3)0.3264 (4)0.64043 (19)0.0450 (10)
C270.6998 (3)0.5800 (5)0.8892 (2)0.0518 (12)
C70.5809 (3)1.1716 (5)0.3474 (2)0.0487 (11)
H70.61941.10440.32510.058*
C250.6501 (3)0.0586 (5)0.82140 (19)0.0456 (10)
H250.64550.04050.83900.055*
C190.7127 (3)0.2053 (5)0.6267 (2)0.0546 (12)
H190.75050.20960.59140.066*
C180.7145 (3)0.0755 (5)0.6653 (2)0.0542 (12)
H180.75410.00710.65610.065*
C170.6583 (3)0.0675 (5)0.71682 (19)0.0444 (10)
C200.6595 (3)0.0721 (5)0.75843 (19)0.0433 (10)
C150.5963 (3)0.3185 (5)0.6900 (2)0.0538 (12)
H150.55500.39960.69780.065*
C120.6062 (4)0.6397 (8)0.5385 (3)0.093 (2)
H120.56820.70030.51300.112*
C290.5636 (4)0.4819 (7)0.9116 (3)0.0817 (18)
H290.51130.41870.91260.098*
C60.5295 (3)1.2800 (5)0.3155 (2)0.0557 (12)
C100.8216 (3)0.5335 (7)0.6075 (3)0.0710 (17)
H10A0.85340.46080.58080.107*
H10B0.82070.49400.64960.107*
H10C0.85310.63230.60670.107*
C210.6684 (4)0.2212 (5)0.7336 (2)0.0644 (14)
H210.67580.23370.69060.077*
C130.5785 (4)0.5157 (7)0.5708 (3)0.0820 (19)
H130.51900.47400.57240.098*
C280.5796 (4)0.6079 (7)0.9459 (3)0.089 (2)
H280.53900.64810.97570.107*
C260.7925 (4)0.5929 (8)0.8617 (3)0.105 (3)
H26A0.82900.66440.88610.157*
H26B0.82160.49200.86160.157*
H26C0.78760.63080.81940.157*
C220.6664 (4)0.3504 (6)0.7715 (2)0.0639 (13)
H220.67450.44960.75460.077*
C90.5346 (5)1.2942 (8)0.2456 (3)0.099 (2)
H9A0.54141.40220.23420.149*
H9B0.47881.25360.22730.149*
H9C0.58681.23600.23030.149*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.04896 (17)0.02868 (14)0.04900 (16)0.00104 (12)0.00378 (13)0.00034 (13)
O30.0620 (18)0.0681 (19)0.053 (2)0.0265 (15)0.0113 (17)0.0081 (19)
O20.072 (2)0.0473 (19)0.066 (2)0.0248 (18)0.0011 (17)0.0002 (16)
O40.079 (2)0.0407 (18)0.0573 (18)0.0243 (16)0.0026 (16)0.0051 (14)
N20.044 (2)0.0338 (19)0.068 (2)0.0037 (17)0.0050 (18)0.0072 (17)
N30.052 (2)0.038 (2)0.061 (2)0.0016 (18)0.0073 (19)0.0085 (18)
O10.076 (2)0.066 (2)0.059 (2)0.0308 (16)0.0053 (19)0.008 (2)
C110.045 (2)0.034 (2)0.060 (2)0.001 (2)0.007 (2)0.0045 (19)
N10.048 (2)0.045 (2)0.083 (3)0.0003 (18)0.0079 (19)0.024 (2)
C30.040 (2)0.037 (2)0.044 (2)0.0007 (19)0.0027 (18)0.0027 (18)
C40.037 (2)0.032 (2)0.046 (2)0.0001 (19)0.0014 (16)0.0003 (19)
C80.035 (2)0.038 (2)0.049 (3)0.0043 (19)0.0053 (19)0.0033 (19)
N40.055 (2)0.044 (2)0.075 (3)0.0002 (19)0.011 (2)0.020 (2)
C10.038 (2)0.035 (2)0.062 (3)0.0015 (19)0.001 (2)0.002 (2)
C20.037 (2)0.032 (2)0.052 (2)0.003 (2)0.0004 (17)0.002 (2)
C160.051 (3)0.038 (3)0.062 (3)0.002 (2)0.009 (2)0.0031 (19)
C230.049 (2)0.035 (2)0.047 (2)0.001 (2)0.0004 (18)0.0072 (19)
C50.053 (2)0.039 (2)0.050 (2)0.008 (2)0.0038 (19)0.008 (2)
C240.056 (3)0.043 (3)0.040 (2)0.004 (2)0.003 (2)0.0011 (18)
C140.052 (2)0.029 (2)0.054 (2)0.0046 (19)0.005 (2)0.0051 (18)
C270.053 (3)0.036 (2)0.066 (3)0.005 (2)0.010 (2)0.015 (2)
C70.050 (3)0.041 (3)0.055 (3)0.009 (2)0.003 (2)0.004 (2)
C250.057 (3)0.031 (2)0.049 (3)0.001 (2)0.000 (2)0.0063 (19)
C190.071 (3)0.040 (2)0.053 (2)0.005 (2)0.017 (3)0.005 (2)
C180.065 (3)0.035 (2)0.063 (3)0.012 (2)0.019 (2)0.0052 (19)
C170.053 (3)0.033 (2)0.048 (2)0.001 (2)0.001 (2)0.0009 (18)
C200.052 (2)0.033 (2)0.045 (2)0.001 (2)0.001 (2)0.0013 (18)
C150.046 (3)0.042 (3)0.073 (3)0.005 (2)0.002 (2)0.001 (2)
C120.053 (3)0.084 (4)0.142 (6)0.005 (3)0.016 (3)0.061 (4)
C290.054 (3)0.075 (4)0.116 (5)0.014 (3)0.025 (3)0.035 (3)
C60.071 (3)0.051 (3)0.045 (3)0.007 (3)0.001 (2)0.002 (2)
C100.055 (3)0.057 (3)0.100 (4)0.012 (3)0.018 (3)0.024 (3)
C210.113 (4)0.039 (2)0.042 (2)0.000 (3)0.010 (3)0.003 (2)
C130.042 (3)0.077 (4)0.128 (5)0.008 (3)0.014 (3)0.043 (4)
C280.064 (4)0.082 (4)0.121 (5)0.011 (3)0.031 (3)0.054 (4)
C260.079 (4)0.086 (5)0.149 (6)0.032 (3)0.049 (4)0.067 (4)
C220.104 (4)0.028 (2)0.059 (3)0.003 (3)0.002 (2)0.006 (2)
C90.146 (6)0.102 (5)0.049 (3)0.047 (4)0.012 (3)0.007 (3)
Geometric parameters (Å, º) top
Cd1—N12.258 (4)C23—C221.361 (6)
Cd1—O22.265 (3)C5—C61.388 (6)
Cd1—N4i2.272 (4)C5—H50.9300
Cd1—O4ii2.352 (3)C24—C251.371 (6)
Cd1—O3ii2.359 (3)C24—H240.9300
Cd1—O12.450 (3)C14—C191.355 (6)
Cd1—C12.699 (4)C14—C151.362 (6)
Cd1—C8ii2.702 (4)C27—C261.465 (7)
O3—C81.235 (5)C7—C61.369 (6)
O3—Cd1iii2.359 (3)C7—H70.9300
O2—C11.249 (5)C25—C201.354 (6)
O4—C81.239 (5)C25—H250.9300
O4—Cd1iii2.352 (3)C19—C181.383 (6)
N2—C111.342 (6)C19—H190.9300
N2—C131.357 (6)C18—C171.367 (6)
N2—C141.431 (5)C18—H180.9300
N3—C271.355 (6)C17—C201.488 (6)
N3—C291.364 (6)C20—C211.387 (6)
N3—C231.429 (5)C15—H150.9300
O1—C11.228 (6)C12—C131.327 (8)
C11—N11.301 (5)C12—H120.9300
C11—C101.466 (6)C29—C281.322 (8)
N1—C121.365 (6)C29—H290.9300
C3—C21.375 (6)C6—C91.497 (7)
C3—C41.379 (5)C10—H10A0.9600
C3—H30.9300C10—H10B0.9600
C4—C51.374 (5)C10—H10C0.9600
C4—C81.495 (6)C21—C221.369 (6)
C8—Cd1iii2.702 (4)C21—H210.9300
N4—C271.295 (5)C13—H130.9300
N4—C281.371 (6)C28—H280.9300
N4—Cd1iv2.272 (4)C26—H26A0.9600
C1—C21.501 (6)C26—H26B0.9600
C2—C71.378 (6)C26—H26C0.9600
C16—C171.375 (6)C22—H220.9300
C16—C151.382 (6)C9—H9A0.9600
C16—H160.9300C9—H9B0.9600
C23—C241.360 (6)C9—H9C0.9600
N1—Cd1—O2113.02 (13)C22—C23—N3121.0 (4)
N1—Cd1—N4i89.26 (16)C4—C5—C6121.7 (4)
O2—Cd1—N4i92.18 (13)C4—C5—H5119.2
N1—Cd1—O4ii91.37 (13)C6—C5—H5119.2
O2—Cd1—O4ii148.21 (12)C23—C24—C25119.1 (4)
N4i—Cd1—O4ii108.90 (13)C23—C24—H24120.5
N1—Cd1—O3ii145.67 (13)C25—C24—H24120.5
O2—Cd1—O3ii98.71 (12)C19—C14—C15120.8 (4)
N4i—Cd1—O3ii102.76 (13)C19—C14—N2119.9 (4)
O4ii—Cd1—O3ii54.35 (11)C15—C14—N2119.2 (4)
N1—Cd1—O194.81 (13)N4—C27—N3110.3 (4)
O2—Cd1—O154.25 (11)N4—C27—C26126.5 (4)
N4i—Cd1—O1144.91 (13)N3—C27—C26123.1 (4)
O4ii—Cd1—O1105.83 (12)C6—C7—C2121.5 (4)
O3ii—Cd1—O193.28 (12)C6—C7—H7119.2
N1—Cd1—C1107.51 (13)C2—C7—H7119.2
O2—Cd1—C127.39 (12)C20—C25—C24122.0 (4)
N4i—Cd1—C1119.39 (14)C20—C25—H25119.0
O4ii—Cd1—C1127.65 (12)C24—C25—H25119.0
O3ii—Cd1—C194.48 (12)C14—C19—C18119.8 (4)
O1—Cd1—C127.04 (12)C14—C19—H19120.1
N1—Cd1—C8ii118.50 (14)C18—C19—H19120.1
O2—Cd1—C8ii123.53 (13)C17—C18—C19120.5 (4)
N4i—Cd1—C8ii109.54 (12)C17—C18—H18119.8
O4ii—Cd1—C8ii27.28 (11)C19—C18—H18119.8
O3ii—Cd1—C8ii27.17 (12)C18—C17—C16118.9 (4)
O1—Cd1—C8ii99.00 (12)C18—C17—C20120.8 (4)
C1—Cd1—C8ii111.41 (13)C16—C17—C20120.3 (4)
C8—O3—Cd1iii92.1 (3)C25—C20—C21117.7 (4)
C1—O2—Cd196.1 (3)C25—C20—C17121.4 (4)
C8—O4—Cd1iii92.3 (3)C21—C20—C17120.8 (4)
C11—N2—C13107.9 (4)C14—C15—C16119.3 (4)
C11—N2—C14128.1 (4)C14—C15—H15120.4
C13—N2—C14124.0 (4)C16—C15—H15120.4
C27—N3—C29107.3 (4)C13—C12—N1110.2 (5)
C27—N3—C23129.5 (4)C13—C12—H12124.9
C29—N3—C23122.7 (4)N1—C12—H12124.9
C1—O1—Cd187.8 (3)C28—C29—N3105.8 (5)
N1—C11—N2110.1 (4)C28—C29—H29127.1
N1—C11—C10125.2 (4)N3—C29—H29127.1
N2—C11—C10124.7 (4)C7—C6—C5117.9 (4)
C11—N1—C12106.0 (4)C7—C6—C9121.5 (4)
C11—N1—Cd1134.5 (3)C5—C6—C9120.5 (4)
C12—N1—Cd1119.0 (3)C11—C10—H10A109.5
C2—C3—C4120.4 (4)C11—C10—H10B109.5
C2—C3—H3119.8H10A—C10—H10B109.5
C4—C3—H3119.8C11—C10—H10C109.5
C5—C4—C3119.0 (4)H10A—C10—H10C109.5
C5—C4—C8119.7 (4)H10B—C10—H10C109.5
C3—C4—C8121.3 (4)C22—C21—C20121.0 (4)
O3—C8—O4120.8 (4)C22—C21—H21119.5
O3—C8—C4119.5 (4)C20—C21—H21119.5
O4—C8—C4119.6 (4)C12—C13—N2105.8 (4)
O3—C8—Cd1iii60.7 (2)C12—C13—H13127.1
O4—C8—Cd1iii60.4 (2)N2—C13—H13127.1
C4—C8—Cd1iii172.1 (3)C29—C28—N4110.5 (5)
C27—N4—C28106.0 (4)C29—C28—H28124.8
C27—N4—Cd1iv131.0 (3)N4—C28—H28124.8
C28—N4—Cd1iv121.1 (3)C27—C26—H26A109.5
O1—C1—O2121.1 (4)C27—C26—H26B109.5
O1—C1—C2120.5 (4)H26A—C26—H26B109.5
O2—C1—C2118.4 (4)C27—C26—H26C109.5
O1—C1—Cd165.1 (2)H26A—C26—H26C109.5
O2—C1—Cd156.6 (2)H26B—C26—H26C109.5
C2—C1—Cd1170.0 (3)C23—C22—C21119.3 (4)
C3—C2—C7119.5 (4)C23—C22—H22120.4
C3—C2—C1120.7 (4)C21—C22—H22120.4
C7—C2—C1119.8 (4)C6—C9—H9A109.5
C17—C16—C15120.7 (4)C6—C9—H9B109.5
C17—C16—H16119.7H9A—C9—H9B109.5
C15—C16—H16119.7C6—C9—H9C109.5
C24—C23—C22120.7 (4)H9A—C9—H9C109.5
C24—C23—N3118.2 (4)H9B—C9—H9C109.5
Symmetry codes: (i) x+3/2, y, z1/2; (ii) x+1/2, y+5/2, z+1; (iii) x1/2, y+5/2, z+1; (iv) x+3/2, y, z+1/2.
 

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